ChemSpider 2D Image | 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) | C17H31O13P

1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)

  • Molecular FormulaC17H31O13P
  • Average mass474.394 Da
  • Monoisotopic mass474.150238 Da
  • ChemSpider ID34448721

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-dibutanoat [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dibutanoate [ACD/IUPAC Name]
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)
Butanoic acid, (1R)-2-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-1-[(1-oxobutoxy)methyl]ethyl ester [ACD/Index Name]
Dibutanoate de (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dibutanoate
1,2-dibutanoyl-sn-glycero-3-phospho-(1'D-myo-inositol)
1,2-Dibutyryl-sn-glycero-3-phosphoinositol
148504-92-1 [RN]
di-C4-PI
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 634.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 337.2±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -4.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

Click to predict properties on the Chemicalize site


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